SCHEMBL6430833

SCHEMBL6430833

CCc1cnc(Oc2c(C)cc(C)cc2C)c(N)c1NC(CC)CC

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.52
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6430253 0.80 CRHR1 (0.42) CRHR1
SCHEMBL6428408 0.77 CRHR1 (0.38) CRHR1
SCHEMBL8344779 0.74 CRHR1 (0.47) CRHR1
SCHEMBL5844150 0.74 CRHR1 (0.77) CRHR1
SCHEMBL5845345 0.72 CRHR1 (0.55) CRHR1
SCHEMBL6428379 0.70 CRHR1 (0.42) CRHR1
SCHEMBL6428447 0.69 CRHR1 (0.52) CRHR1
SCHEMBL123421 0.69 CRHR1 (1.00) CRHR1
SCHEMBL30397878 0.69 CRHR1 (1.00) CRHR1
SCHEMBL5844689 0.68 CRHR1 (0.75) CRHR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 US disclosed